Compound Detail
CHEMBL39404
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Basic Information
| ChEMBL ID | CHEMBL39404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTAAVCLLJKZKRA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
3.85
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 8.64 | 7.54 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 2.3 | nM | 8.64 | Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+... | 10386926 |
| Aminopeptidase N | Ki | = | 360.0 | nM | 6.44 | Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+... | 10386926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386926 | 10.1016/s0960-894x(99)00236-x | Aminopeptidase N | 2 |
Data from ChEMBL 36 via Core Engine